2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole

C106H68N8 — CID 166846343

About 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole

2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole (PubChem CID 166846343) has the molecular formula C106H68N8 and a molecular weight of 1453.77 g/mol. Its IUPAC name is 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole
• PubChem CID: 166846343
• Molecular Formula: C106H68N8
• Molecular Weight: 1453.77 g/mol
• Exact Mass: 1452.56
• IUPAC Name: 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc4cc(-c5ccc6ccc7c(c6c5)c5ccc(-n6c8ccccc8c8ccccc86)cc5n7-c5nc6ccccc6nc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4nc3-n3c4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c4c5ccccc5ccc43)cc21
• InChI: InChI=1S/C106H68N8/c1-105(2)83-30-14-9-25-72(83)74-46-39-67(55-85(74)105)101-103(109-88-33-17-16-32-87(88)107-101)114-95-52-43-62-37-38-65(53-81(62)100(95)80-49-44-69(59-98(80)114)111-91-34-18-11-27-76(91)77-28-12-19-35-92(77)111)66-41-50-89-90(57-66)108-102(68-40-47-75-73-26-10-15-31-84(73)106(3,4)86(75)56-68)104(110-89)113-94-51-42-61-21-7-8-24-71(61)99(94)79-48-45-70(60-97(79)113)112-93-36-20-13-29-78(93)82-54-63-22-5-6-23-64(63)58-96(82)112/h5-60H,1-4H3
• InChIKey: OPIYABXHUOWRHK-UHFFFAOYSA-N
• XLogP: 27.03
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1453.77
LogP ≤ 5	27.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole?

The IUPAC name of 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole (CID 166846343) is 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole.

What is the SMILES notation for 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole?

The canonical SMILES for 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc4cc(-c5ccc6ccc7c(c6c5)c5ccc(-n6c8ccccc8c8ccccc86)cc5n7-c5nc6ccccc6nc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4nc3-n3c4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c4c5ccccc5ccc43)cc21.

What is the InChIKey of 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole?

The InChIKey is OPIYABXHUOWRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H68N8/c1-105(2)83-30-14-9-25-72(83)74-46-39-67(55-85(74)105)101-103(109-88-33-17-16-32-87(88)107-101)114-95-52-43-62-37-38-65(53-81(62)100(95)80-49-44-69(59-98(80)114)111-91-34-18-11-27-76(91)77-28-12-19-35-92(77)111)66-41-50-89-90(57-66)108-102(68-40-47-75-73-26-10-15-31-84(73)106(3,4)86(75)56-68)104(110-89)113-94-51-42-61-21-7-8-24-71(61)99(94)79-48-45-70(60-97(79)113)112-93-36-20-13-29-78(93)82-54-63-22-5-6-23-64(63)58-96(82)112/h5-60H,1-4H3.

What are the key properties of 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole?

2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole has a molecular weight of 1453.77 g/mol, XLogP of 27.03, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 166846343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).